SCHEMBL8571259

SCHEMBL8571259

CCCC(=O)c1c(O)c(C)c(O)c(CCCC(=O)C2=C(O)C(C)(C)C(O)=C(C)C2=O)c1O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 7/20 0.51
▸ PLA2G2A P14555 1/20 0.43
▸ PLA2G5 P39877 1/20 0.43
▸ FFAR1 O14842 1/20 0.35
▸ PTGES O14684 3/20 0.33
▸ ALOX5 P09917 3/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8904640 0.88 FASN (0.38) FASNPLA2G2APLA2G5FFAR1
SCHEMBL1785484 0.81 FASN (0.60) FASNPLA2G2APLA2G5PTGESALOX5
SCHEMBL8573383 0.80 FASN (0.51) FASNPLA2G2APLA2G5FFAR1PTGES
SCHEMBL16352047 0.75 FASN (0.59) FASNPLA2G2APLA2G5PTGESALOX5
SCHEMBL30212058 0.74 FASN (0.72) FASNPLA2G2APLA2G5PTGESALOX5
SCHEMBL4742082 0.73 FASN (0.63) FASNPTGESALOX5
SCHEMBL28212260 0.72 FASN (0.55) FASN
SCHEMBL155672 0.70 FASN (0.48) FASN
SCHEMBL30212093 0.70 FASN (0.80) FASNPLA2G2APLA2G5PTGESALOX5
SCHEMBL30212041 0.70 FASN (0.80) FASNPLA2G2APLA2G5PTGESALOX5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5807898-A ASPIDIN, DESASPIDIN, METHYLENEBISASPIDINOL KAPADIA GOVIND J (US) 1998-09-15 — — US disclosed
US-5684035-A NAPHTHOQUINONES KAPADIA GOVIND J (US) 1997-11-04 — — US disclosed
Send feedback